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2,2,4,4,6,6-Hexamethyl-1,3,5-cyclohexanetrione

View entire compound with spectra: 3 NMR, and 1 FTIR

2,2,4,4,6,6-Hexamethyl-1,3,5-cyclohexanetrione
SpectraBase Compound ID EYHNiuMiVNM
InChI InChI=1S/C12H18O3/c1-10(2)7(13)11(3,4)9(15)12(5,6)8(10)14/h1-6H3
InChIKey DXLKLICKNIROHG-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C6fpQwUDnG3
Name 2,2,4,4,6,6-Hexamethyl-1,3,5-cyclohexanetrione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.125594437 u
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-10(2)7(13)11(3,4)9(15)12(5,6)8(10)14/h1-6H3
InChIKey DXLKLICKNIROHG-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES C1(C(C(C(C(C1(C)C)=O)(C)C)=O)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940764